About CID 178010212
CID 178010212 (PubChem CID 178010212) has the molecular formula C10H17N3O+
and a molecular weight of 195.27 g/mol.
Molecular Properties
| Compound Name | CID 178010212 |
|---|
| PubChem CID | 178010212 |
|---|
| Molecular Formula | C10H17N3O+ |
|---|
| Molecular Weight | 195.27 g/mol |
|---|
| Exact Mass | 195.14 |
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| IUPAC Name | — |
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| SMILES | C/C=C/CNC(=O)CC1=N[CH][N+](C)=C1.[H][H] |
|---|
| InChI | InChI=1S/C10H15N3O.H2/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9;/h3-4,7-8H,5-6H2,1-2H3,(H,11,14);1H/q+1;/b4-3+; |
|---|
| InChIKey | ZJTDYFKSPRRPBZ-BJILWQEISA-N |
|---|
| XLogP | 0.60 |
|---|
| TPSA | 44.47 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 195.27 |
| LogP ≤ 5 | 0.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 178010212?
The IUPAC name of CID 178010212 (CID 178010212) is not available.
What is the SMILES notation for CID 178010212?
The canonical SMILES for CID 178010212 is C/C=C/CNC(=O)CC1=N[CH][N+](C)=C1.[H][H].
What is the InChIKey of CID 178010212?
The InChIKey is ZJTDYFKSPRRPBZ-BJILWQEISA-N. The full InChI is InChI=1S/C10H15N3O.H2/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9;/h3-4,7-8H,5-6H2,1-2H3,(H,11,14);1H/q+1;/b4-3+;.
What are the key properties of CID 178010212?
CID 178010212 has a molecular weight of 195.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178010212 is sourced from PubChem (CID 178010212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).